Mol:EEL0187
Copyright: ARM project http://www.metabolome.jp/
102103 0 0 0 0 0 0 0 0999 V2000
-13.4636 -1.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6775 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7761 1.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7058 2.1912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7795 -1.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7627 0.0035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5659 1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9317 2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2175 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5031 2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7885 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0741 2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3597 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6453 2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9307 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2164 2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5021 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7877 2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0734 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3589 2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6443 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7391 -1.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1048 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3904 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6760 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9615 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2472 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4689 -1.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7546 -1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0402 -1.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3256 -1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6113 -1.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2175 1.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3597 1.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5021 1.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6443 1.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3904 -2.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4689 -2.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6113 -2.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 2.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1033 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9499 -3.4286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0387 -3.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4636 1.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8685 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2576 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5985 -1.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6819 0.5144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8715 -0.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4587 -1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8244 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1101 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3958 -1.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6811 -1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9668 -1.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2523 -1.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8234 -1.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1091 -1.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3948 -1.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6804 -1.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2516 -1.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8476 1.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2134 0.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4989 1.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7846 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0700 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3558 0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3612 2.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6469 1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9324 2.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2178 1.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5035 2.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1100 -0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2521 -0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3947 -0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5368 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4987 1.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 3.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5033 3.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8227 -1.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 1.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1840 2.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4464 -2.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4464 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2336 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0949 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0949 1.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8086 0.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5239 1.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5239 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7394 -1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9638 -1.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3692 2.6066 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.3692 3.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3692 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5442 2.6066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7192 2.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9766 -3.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9145 -3.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 2 6 1 0 2 5 1 0 7 4 1 0 8 7 1 0 9 8 1 0 10 9 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 13 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 5 22 1 0 9 33 1 0 13 34 1 0 17 35 1 0 21 36 1 0 24 37 1 0 28 38 1 0 32 39 1 0 21 40 1 0 32 41 1 0 1 42 1 0 42 43 1 0 44 45 1 0 45 46 1 0 46 47 1 0 45 49 1 0 45 48 1 0 50 47 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 55 54 1 0 56 55 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 62 61 1 0 63 62 1 0 64 63 1 0 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 70 69 1 0 72 71 1 0 73 72 1 0 74 73 1 0 75 74 1 0 48 65 1 0 52 76 1 0 56 77 1 0 60 78 1 0 64 79 1 0 67 80 1 0 71 81 1 0 75 82 1 0 64 83 1 0 75 84 1 0 44 85 1 0 40 84 1 0 41 83 1 0 86 87 1 0 27 87 1 0 28 88 1 0 89 90 1 0 90 91 1 0 91 92 1 0 92 93 1 0 89 93 1 0 71 89 1 0 70 92 1 0 87 94 1 0 88 95 1 0 95 94 1 0 85 96 1 0 96 97 2 0 96 98 1 0 96 99 1 0 99100 1 0 43101 1 0
101102 1 0 A 43 Glc A 100 Ino A 101 Glc A 102 Glc S SKP 6 AUTODRAW FALSE ID EEL0187 FORMULA C90H179O9P EXACTMASS 1435.328673836 AVERAGEMASS 1436.352621 SMILES C(C(C)1)CCC(C)C(C2)CC(C2)CCCC(C)CCOC(COP(OC)(O)=O)([H])COCCC(CCCC(C)CCCC(C)CCCC(CCC(CCCC(C)CCCC(CCCC(C)CCOC(COCCC)(COCCC(C)CCCC(C)CCCC(CCCC(C)CC1)C)[H])C)C)C)C M END
